SCHEMBL4074053

SCHEMBL4074053

CN(CCC(=O)NN)c1ccc(C(=O)NN)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
MPO P05164 2/20 0.46
CYP3A4 P08684 2/20 0.46
GFER P55789 2/20 0.46
KDM5A P29375 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
HIF1A Q16665 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
OGG1 O15527 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AOC2 O75106 1/20 0.42
CA9 Q16790 1/20 0.41
CYP1A2 P05177 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2D6 P10635 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4075252 0.91 HDAC3 (0.44) MAPTMPOCYP3A4GFERKDM5A
SCHEMBL4250578 0.85 RAB9A (0.41) MAPTKDM4EALDH1A1L3MBTL1HDAC1
SCHEMBL4254446 0.83 L3MBTL1 (0.50) CYP3A4KDM4EALDH1A1L3MBTL1CYP1A2
SCHEMBL963723 0.77 HDAC1 (0.61) MAPTMPOCYP3A4GFERKDM5A
SCHEMBL4079538 0.75 MAPT (0.47) MAPTMPOCYP3A4GFERKDM5A
SCHEMBL10906239 0.73 HPGD (0.53) MAPTALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL10906746 0.73 RAB9A (0.52) MAPTALDH1A1L3MBTL1HDAC1HDAC6
SCHEMBL343630 0.72 MPO (0.80) MAPTMPOCYP3A4GFERKDM5A
SCHEMBL2678949 0.72 MPO (0.80) MAPTMPOCYP3A4GFERKDM5A
SCHEMBL10951350 0.71 HPGD (0.52) MAPTALDH1A1LMNAL3MBTL1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009155362-A1 SMALL MOLECULE HEMATOPOIETIC GROWTH FACTOR MIMETIC COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO disclosed